![2-[(3,4-Dichlorobenzyl)sulfanyl]benzoic acid, o-methyl](/api/spectrum/1qHso6dvEE0/structure.png?h=300&w=458 "2-[(3,4-Dichlorobenzyl)sulfanyl]benzoic acid, o-methyl")
| SpectraBase Compound ID | Bb24WZdaxeJ |
|---|---|
| InChI | InChI=1S/C15H12Cl2O2S/c1-19-15(18)11-4-2-3-5-14(11)20-9-10-6-7-12(16)13(17)8-10/h2-8H,9H2,1H3 |
| InChIKey | RGHTXMMQPPQPBQ-UHFFFAOYSA-N |
| Mol Weight | 327.23 g/mol |
| Molecular Formula | C15H12Cl2O2S |
| Exact Mass | 325.993506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qHso6dvEE0 |
|---|---|
| Name | 2-[(3,4-Dichlorobenzyl)sulfanyl]benzoic acid, o-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.993506198 u |
| Formula | C15H12Cl2O2S |
| InChI | InChI=1S/C15H12Cl2O2S/c1-19-15(18)11-4-2-3-5-14(11)20-9-10-6-7-12(16)13(17)8-10/h2-8H,9H2,1H3 |
| InChIKey | RGHTXMMQPPQPBQ-UHFFFAOYSA-N |
| Molecular Weight | 327.225 g/mol |
| SMILES | C(C1=C(C=CC=C1)SCC1=CC(=C(C=C1)Cl)Cl)(=O)OC |